SCHEMBL18059338

SCHEMBL18059338

CC1(C)c2ccccc2-c2ccc3c4ccc5ncccc5c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ABCG2 Q9UNQ0 2/20 0.30
▸ ABCB1 P08183 1/20 0.30
▸ ABCC1 P33527 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP1B1 Q16678 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18058231 0.89 ACVR1 (0.30) ACVR1
SCHEMBL15434215 0.88 L3MBTL1 (0.35) MAPT
SCHEMBL18059360 0.88 — —
SCHEMBL18057977 0.86 MAPT (0.34) MEN1LMNAMAPTKMT2A
SCHEMBL18059336 0.86 CSNK2A2 (0.31) —
SCHEMBL18057974 0.86 FABP1 (0.34) CYP3A4ABCG2MEN1LMNAHSP90AA1
SCHEMBL18057946 0.85 ABCB1 (0.32) ABCG2ABCB1ABCC1
SCHEMBL18057948 0.85 ABCB1 (0.32) ABCG2ABCB1ABCC1
SCHEMBL18057960 0.83 ABCB1 (0.31) ABCG2ABCB1ABCC1
SCHEMBL2603527 0.83 DUSP3 (0.36) MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10680183-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-06-09 — — US disclosed
US-20160260909-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-09-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10680183-B2 Organic electroluminescent materials and devices PNMT, CYCS, NES ACVR1 3269/4885PDE10A 2218/4885CYP3A4 1423/4885
US-20160260909-A1 Organic Electroluminescent Materials and Devices PNMT, CYCS, NES ACVR1 3269/4885PDE10A 2218/4885CYP3A4 1423/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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